3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide

C23H25N5O2 — CID 56934838

IUPAC3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide
SMILESCCCn1nc(-c2cn(Cc3ccc(OC)cc3)c3ccccc23)cc1C(=O)NN
InChIInChI=1S/C23H25N5O2/c1-3-12-28-22(23(29)25-24)13-20(26-28)19-15-27(21-7-5-4-6-18(19)21)14-16-8-10-17(30-2)11-9-16/h4-11,13,15H,3,12,14,24H2,1-2H3,(H,25,29)
InChIKeyTUALWTWAYSAEKM-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.58
Rot. Bonds7

About 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide

3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide (PubChem CID 56934838) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide
PubChem CID56934838
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide
SMILESCCCn1nc(-c2cn(Cc3ccc(OC)cc3)c3ccccc23)cc1C(=O)NN
InChIInChI=1S/C23H25N5O2/c1-3-12-28-22(23(29)25-24)13-20(26-28)19-15-27(21-7-5-4-6-18(19)21)14-16-8-10-17(30-2)11-9-16/h4-11,13,15H,3,12,14,24H2,1-2H3,(H,25,29)
InChIKeyTUALWTWAYSAEKM-UHFFFAOYSA-N
XLogP3.58
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,4-diazepan-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933429
N-[(3-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52933916
N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 52935059
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 52935715
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 52935926
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57396000
1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 57400298
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 57401230
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 57402100
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 57402101
N'-(1H-indol-3-ylmethylene)-4-methoxybenzohydrazide
CID 135412131
5-methoxy-1,2-dimethyl-N'-[(E)-(1-methyl-1H-indol-3-yl)methylidene]-1H-indole-3-carbohydrazide
CID 9635778

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide?
The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide (CID 56934838) is 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide is CCCn1nc(-c2cn(Cc3ccc(OC)cc3)c3ccccc23)cc1C(=O)NN.
What is the InChIKey of 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide?
The InChIKey is TUALWTWAYSAEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-12-28-22(23(29)25-24)13-20(26-28)19-15-27(21-7-5-4-6-18(19)21)14-16-8-10-17(30-2)11-9-16/h4-11,13,15H,3,12,14,24H2,1-2H3,(H,25,29).
What are the key properties of 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide?
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide has a molecular weight of 403.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide is sourced from PubChem (CID 56934838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).